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1267764-49-7 | Methyl 5-(2-chloro-5-thienyl)-5-oxovalerate
CAS No: 1267764-49-7 Catalog No: AG01FAWF MDL No:
Product Description
Catalog Number:
AG01FAWF
Chemical Name:
Methyl 5-(2-chloro-5-thienyl)-5-oxovalerate
CAS Number:
1267764-49-7
Molecular Formula:
C10H11ClO3S
Molecular Weight:
246.7105
IUPAC Name:
methyl 5-(5-chlorothiophen-2-yl)-5-oxopentanoate
InChI:
InChI=1S/C10H11ClO3S/c1-14-10(13)4-2-3-7(12)8-5-6-9(11)15-8/h5-6H,2-4H2,1H3
InChI Key:
XCDTWDKIKLHGFN-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC(=O)c1ccc(s1)Cl
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.705g/mol
Monoisotopic Mass:
246.012g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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